Make PBC type enumeration into PbcType enum class

[alexxy/gromacs.git] / src / gromacs / pbcutil / rmpbc.h

diff --git a/src/gromacs/pbcutil/rmpbc.h b/src/gromacs/pbcutil/rmpbc.h
index 0feb096495a13e1541502761f2e5d4925f60ef53..1b93ae538efd5f5a9aa8215df57a7e9851a75094 100644 (file)
--- a/src/gromacs/pbcutil/rmpbc.h
+++ b/src/gromacs/pbcutil/rmpbc.h
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013,2014,2016,2018,2019, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2016,2018,2019,2020, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -42,10 +42,11 @@
 struct t_atoms;
 struct t_idef;
 struct t_trxframe;
+enum class PbcType : int;
 
 typedef struct gmx_rmpbc* gmx_rmpbc_t;
 
-gmx_rmpbc_t gmx_rmpbc_init(const t_idef* idef, int ePBC, int natoms);
+gmx_rmpbc_t gmx_rmpbc_init(const t_idef* idef, PbcType pbcType, int natoms);
 
 void gmx_rmpbc_done(gmx_rmpbc_t gpbc);
 
@@ -54,7 +55,7 @@ void gmx_rmpbc(gmx_rmpbc_t gpbc, int natoms, const matrix box, rvec x[]);
  * boundary conditions such that every molecule is whole.
  * natoms is the size x and can be smaller than the number
  * of atoms in idef, but should only contain complete molecules.
- * When ePBC=-1, the type of pbc is guessed from the box matrix.
+ * When pbcType=PbcType::Unset, the type of pbc is guessed from the box matrix.
  */
 
 void gmx_rmpbc_copy(gmx_rmpbc_t gpbc, int natoms, const matrix box, rvec x[], rvec x_s[]);